5-[2-[(5-chloro-1H-pyrazol-4-yl)amino]pyrimidin-4-yl]-1-[2-(2-fluorophenyl)acetyl]-2,3-dihydroindole-7-carbonitrile

C24H17ClFN7O — CID 130204334

IUPAC5-[2-[(5-chloro-1H-pyrazol-4-yl)amino]pyrimidin-4-yl]-1-[2-(2-fluorophenyl)acetyl]-2,3-dihydroindole-7-carbonitrile
SMILESN#Cc1cc(-c2ccnc(Nc3cn[nH]c3Cl)n2)cc2c1N(C(=O)Cc1ccccc1F)CC2
InChIInChI=1S/C24H17ClFN7O/c25-23-20(13-29-32-23)31-24-28-7-5-19(30-24)16-9-15-6-8-33(22(15)17(10-16)12-27)21(34)11-14-3-1-2-4-18(14)26/h1-5,7,9-10,13H,6,8,11H2,(H,29,32)(H,28,30,31)
InChIKeyYAOLDWOISDJRJZ-UHFFFAOYSA-N
MW473.90 g/mol
LogP4.41
Rot. Bonds5

About 5-[2-[(5-chloro-1H-pyrazol-4-yl)amino]pyrimidin-4-yl]-1-[2-(2-fluorophenyl)acetyl]-2,3-dihydroindole-7-carbonitrile

5-[2-[(5-chloro-1H-pyrazol-4-yl)amino]pyrimidin-4-yl]-1-[2-(2-fluorophenyl)acetyl]-2,3-dihydroindole-7-carbonitrile (PubChem CID 130204334) has the molecular formula C24H17ClFN7O and a molecular weight of 473.90 g/mol. Its IUPAC name is 5-[2-[(5-chloro-1H-pyrazol-4-yl)amino]pyrimidin-4-yl]-1-[2-(2-fluorophenyl)acetyl]-2,3-dihydroindole-7-carbonitrile.

Molecular Properties

Compound Name5-[2-[(5-chloro-1H-pyrazol-4-yl)amino]pyrimidin-4-yl]-1-[2-(2-fluorophenyl)acetyl]-2,3-dihydroindole-7-carbonitrile
PubChem CID130204334
Molecular FormulaC24H17ClFN7O
Molecular Weight473.90 g/mol
Exact Mass473.12
IUPAC Name5-[2-[(5-chloro-1H-pyrazol-4-yl)amino]pyrimidin-4-yl]-1-[2-(2-fluorophenyl)acetyl]-2,3-dihydroindole-7-carbonitrile
SMILESN#Cc1cc(-c2ccnc(Nc3cn[nH]c3Cl)n2)cc2c1N(C(=O)Cc1ccccc1F)CC2
InChIInChI=1S/C24H17ClFN7O/c25-23-20(13-29-32-23)31-24-28-7-5-19(30-24)16-9-15-6-8-33(22(15)17(10-16)12-27)21(34)11-14-3-1-2-4-18(14)26/h1-5,7,9-10,13H,6,8,11H2,(H,29,32)(H,28,30,31)
InChIKeyYAOLDWOISDJRJZ-UHFFFAOYSA-N
XLogP4.41
TPSA110.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.90
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[(5-chloro-1H-pyrazol-4-yl)amino]pyrimidin-4-yl]-1-[2-(2-fluorophenyl)acetyl]-2,3-dihydroindole-7-carbonitrile?
The IUPAC name of 5-[2-[(5-chloro-1H-pyrazol-4-yl)amino]pyrimidin-4-yl]-1-[2-(2-fluorophenyl)acetyl]-2,3-dihydroindole-7-carbonitrile (CID 130204334) is 5-[2-[(5-chloro-1H-pyrazol-4-yl)amino]pyrimidin-4-yl]-1-[2-(2-fluorophenyl)acetyl]-2,3-dihydroindole-7-carbonitrile.
What is the SMILES notation for 5-[2-[(5-chloro-1H-pyrazol-4-yl)amino]pyrimidin-4-yl]-1-[2-(2-fluorophenyl)acetyl]-2,3-dihydroindole-7-carbonitrile?
The canonical SMILES for 5-[2-[(5-chloro-1H-pyrazol-4-yl)amino]pyrimidin-4-yl]-1-[2-(2-fluorophenyl)acetyl]-2,3-dihydroindole-7-carbonitrile is N#Cc1cc(-c2ccnc(Nc3cn[nH]c3Cl)n2)cc2c1N(C(=O)Cc1ccccc1F)CC2.
What is the InChIKey of 5-[2-[(5-chloro-1H-pyrazol-4-yl)amino]pyrimidin-4-yl]-1-[2-(2-fluorophenyl)acetyl]-2,3-dihydroindole-7-carbonitrile?
The InChIKey is YAOLDWOISDJRJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClFN7O/c25-23-20(13-29-32-23)31-24-28-7-5-19(30-24)16-9-15-6-8-33(22(15)17(10-16)12-27)21(34)11-14-3-1-2-4-18(14)26/h1-5,7,9-10,13H,6,8,11H2,(H,29,32)(H,28,30,31).
What are the key properties of 5-[2-[(5-chloro-1H-pyrazol-4-yl)amino]pyrimidin-4-yl]-1-[2-(2-fluorophenyl)acetyl]-2,3-dihydroindole-7-carbonitrile?
5-[2-[(5-chloro-1H-pyrazol-4-yl)amino]pyrimidin-4-yl]-1-[2-(2-fluorophenyl)acetyl]-2,3-dihydroindole-7-carbonitrile has a molecular weight of 473.90 g/mol, XLogP of 4.41, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(5-chloro-1H-pyrazol-4-yl)amino]pyrimidin-4-yl]-1-[2-(2-fluorophenyl)acetyl]-2,3-dihydroindole-7-carbonitrile is sourced from PubChem (CID 130204334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).